SCHEMBL7535517

SCHEMBL7535517

COc1ccc(S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
MAPK1 P28482 2/20 0.73
POLB P06746 1/20 0.73
TUBB1 Q9H4B7 2/20 0.50
PTGS2 P35354 4/20 0.49
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
HTR6 P50406 1/20 0.44
ALOX15 P16050 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7536292 0.92 TUBB1 (0.60) TSHRMAPK1POLBTUBB1PTGS2
SCHEMBL7534412 0.86 TUBB1 (0.60) TSHRMAPK1POLBTUBB1PTGS2
SCHEMBL7534445 0.83 TSHR (0.62) TSHRMAPK1POLBTUBB1PTGS2
SCHEMBL7534707 0.81 MAPK1 (0.70) TSHRMAPK1POLBPTGS2LMNA
SCHEMBL7533096 0.79 PKM (0.68) TSHRMAPK1POLBPKMHTT
SCHEMBL16797504 0.77 MAPK1 (0.81) TSHRMAPK1POLBLMNAMEN1
SCHEMBL7535778 0.77 MAPK1 (0.53) TSHRMAPK1POLBTUBB1PTGS2
SCHEMBL10969268 0.77 POLB (0.58) TSHRMAPK1POLBTUBB1PTGS2
SCHEMBL7535728 0.76 TUBB1 (0.50) TSHRMAPK1POLBTUBB1PTGS2
SCHEMBL7540089 0.76 MAPK1 (0.62) TSHRMAPK1POLBPTGS2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 TSHR 4093/4885MAPK1 263/4885POLB 638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.